3-(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
[CAS# 890596-67-5]

Identification

• Name: 3-(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
• Synonyms: 3-(4-Acetyl-3,5-dimethylpyrazol-1-yl)-propanoic acid; 3-(4-Acetyl-3,5-dimethyl-pyrazol-1-yl)-propionic a; 3-(4-Acetyl-3,5-dimethyl-pyrazol-1-yl)-propionic acid
• Molecular Formula: C₁₀H₁₄N₂O₃
• Molecular Weight: 210.23
• CAS Registry Number: 890596-67-5
• SMILES: CC1=C(C(=NN1CCC(=O)O)C)C(=O)C
• InChI: 1S/C10H14N2O3/c1-6-10(8(3)13)7(2)12(11-6)5-4-9(14)15/h4-5H2,1-3H3,(H,14,15)
• InChIKey: XQLFKVOEQTWWDK-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 389.7±42.0°C at 760 mmHg (Cal.)
• Flash point: 189.5±27.9°C (Cal.)
• Refractive index: 1.562 (Cal.)

Safety Data

• Safety Description: IRRITANT